HMDB0030595 RDKit 3D Suberenone 30 31 0 0 0 0 0 0 0 0999 V2000 -0.2866 -2.9025 -1.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 -1.7716 -1.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -0.9014 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4644 -1.2237 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 -0.4096 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6712 -0.6945 0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 0.0390 0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8248 -0.2919 0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 1.1671 1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9106 1.4820 1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9319 0.7049 0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 1.0198 0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3418 0.2083 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7245 0.5748 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -0.0300 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1388 0.4993 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2906 1.7381 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1007 -0.1237 -0.4964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 -3.5559 -2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3439 -3.5574 -1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -2.6032 -2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 -2.1027 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 1.7605 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 2.3538 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 1.9069 1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 1.4921 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6215 -0.9299 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8736 2.5701 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 1.9399 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 1.6413 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 13 3 1 0 11 5 2 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 14 26 1 0 15 27 1 0 17 28 1 0 17 29 1 0 17 30 1 0 M END